Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16458057

CCC(C)C1=C(C(c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C1[Ti+3].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORC P51449 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16457916 0.86 TSHR (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16459169 0.85 TSHR (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16459409 0.82 TSHR (0.34) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16459208 0.79 KIF11 (0.32)
Hydrochloric Acid SCHEMBL16458033 0.78
Hydrochloric Acid SCHEMBL16459391 0.76
Hydrochloric Acid SCHEMBL16458268 0.76 KCNN4 (0.30)
Hydrochloric Acid SCHEMBL16459241 0.75
Hydrochloric Acid SCHEMBL16459288 0.74 LMNA (0.30)
Hydrochloric Acid SCHEMBL16458292 0.74 KIF11 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 TSHR 2851/4885CYP1A2 275/4885CYP3A4 363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.